2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide

C20H19N3O2S — CID 7502849

IUPAC2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C)nn2)c1
InChIInChI=1S/C20H19N3O2S/c1-14-6-3-4-9-17(14)21-19(24)13-26-20-11-10-18(22-23-20)15-7-5-8-16(12-15)25-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyMYDNKXCOXVYPRN-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.19
Rot. Bonds6

About 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide

2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 7502849) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID7502849
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C)nn2)c1
InChIInChI=1S/C20H19N3O2S/c1-14-6-3-4-9-17(14)21-19(24)13-26-20-11-10-18(22-23-20)15-7-5-8-16(12-15)25-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyMYDNKXCOXVYPRN-UHFFFAOYSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502862
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18562261
N-(furan-2-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936677
N-(3-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502874
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 7502877
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(1,3-benzodioxol-5-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502861
N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519599
N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957473
N-(2,5-dimethoxyphenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562627

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 7502849) is 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide is COc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C)nn2)c1.
What is the InChIKey of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is MYDNKXCOXVYPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-6-3-4-9-17(14)21-19(24)13-26-20-11-10-18(22-23-20)15-7-5-8-16(12-15)25-2/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 7502849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).